2-amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile

C10H18N2OS — CID 66104534

IUPAC2-amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile
SMILESCC(CO)CSCC(N)(C#N)C1CC1
InChIInChI=1S/C10H18N2OS/c1-8(4-13)5-14-7-10(12,6-11)9-2-3-9/h8-9,13H,2-5,7,12H2,1H3
InChIKeyFQIZMJBHQSIWFC-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.98
Rot. Bonds6

About 2-amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile

2-amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile (PubChem CID 66104534) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile
PubChem CID66104534
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile
SMILESCC(CO)CSCC(N)(C#N)C1CC1
InChIInChI=1S/C10H18N2OS/c1-8(4-13)5-14-7-10(12,6-11)9-2-3-9/h8-9,13H,2-5,7,12H2,1H3
InChIKeyFQIZMJBHQSIWFC-UHFFFAOYSA-N
XLogP0.98
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile (CID 66104534) is 2-amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile is CC(CO)CSCC(N)(C#N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile?
The InChIKey is FQIZMJBHQSIWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8(4-13)5-14-7-10(12,6-11)9-2-3-9/h8-9,13H,2-5,7,12H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile?
2-amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile has a molecular weight of 214.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile is sourced from PubChem (CID 66104534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).